N-(4-aminophenyl)-3-methylfuran-2-carboxamide

C12H12N2O2 — CID 16772874

IUPACN-(4-aminophenyl)-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C12H12N2O2/c1-8-6-7-16-11(8)12(15)14-10-4-2-9(13)3-5-10/h2-7H,13H2,1H3,(H,14,15)
InChIKeyFTWXILTVCJYFEW-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.42
Rot. Bonds2

About N-(4-aminophenyl)-3-methylfuran-2-carboxamide

N-(4-aminophenyl)-3-methylfuran-2-carboxamide (PubChem CID 16772874) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is N-(4-aminophenyl)-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-3-methylfuran-2-carboxamide
PubChem CID16772874
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC NameN-(4-aminophenyl)-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C12H12N2O2/c1-8-6-7-16-11(8)12(15)14-10-4-2-9(13)3-5-10/h2-7H,13H2,1H3,(H,14,15)
InChIKeyFTWXILTVCJYFEW-UHFFFAOYSA-N
XLogP2.42
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-5-bromofuran-2-carboxamide;N-(4-aminophenyl)-3-methylfuran-2-carboxamide
CID 159467877
N-(4-ethylphenyl)-3-methylfuran-2-carboxamide
CID 18106134
3-methyl-N-(4-propan-2-yloxyphenyl)furan-2-carboxamide
CID 110695656
5-amino-2-[(3-methylfuran-2-carbonyl)amino]benzoic acid
CID 63115795
2-methyl-2-[4-[(3-methylfuran-2-carbonyl)amino]phenyl]propanoic acid
CID 80549404
N-(4-bromo-3,5-dimethylphenyl)-3-methylfuran-2-carboxamide
CID 103581989
3-methyl-N-(3-methylphenyl)furan-2-carboxamide
CID 38770464
N-(4-aminophenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 66335876
3-[4-[(3-methylfuran-2-carbonyl)amino]phenyl]butanoic acid
CID 104501841
N-[3-(aminomethyl)-4-fluorophenyl]-3-methylfuran-2-carboxamide
CID 62316950
N-(3-iodophenyl)-3-methylfuran-2-carboxamide
CID 27445102
N-(3-cyano-4-fluorophenyl)-3-methylfuran-2-carboxamide
CID 62315619

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-3-methylfuran-2-carboxamide?
The IUPAC name of N-(4-aminophenyl)-3-methylfuran-2-carboxamide (CID 16772874) is N-(4-aminophenyl)-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-(4-aminophenyl)-3-methylfuran-2-carboxamide?
The canonical SMILES for N-(4-aminophenyl)-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)Nc1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-3-methylfuran-2-carboxamide?
The InChIKey is FTWXILTVCJYFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8-6-7-16-11(8)12(15)14-10-4-2-9(13)3-5-10/h2-7H,13H2,1H3,(H,14,15).
What are the key properties of N-(4-aminophenyl)-3-methylfuran-2-carboxamide?
N-(4-aminophenyl)-3-methylfuran-2-carboxamide has a molecular weight of 216.24 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-3-methylfuran-2-carboxamide is sourced from PubChem (CID 16772874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).